기본 정보
- CAS
185104-11-4- 표준 SMILES
COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl- InChIKey
VQEKQYLTAIVCBW-UHFFFAOYSA-N- 분자식
- C21H31ClN4O5S
- 평균 분자량
- 487 g/mol
- 단동위원소 질량
- 486.17036877
개요
See also: Acotiamide Hydrochloride (annotation moved to).
이름 및 식별자
- 우선 이름
- N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
- IUPAC
- N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
- 영어명
- Acotiamide Hydrochloride
- 분자식
- C21H31ClN4O5S
- 분자량
- 487.01
이름 및 동의어
Acotiamide HClAcotiamide (hydrochloride)N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochlorideZ338MFCD23103502N-(2-(diisopropylamino)ethyl)-2-(2-hydroxy-4,5-dimethoxybenzamido)thiazole-4-carboxamide hydrochlorideAcotiamide dihydrochlorideCHEMBL5414074N-[2-(Diisopropylamino)ethyl]-2-(2-hydroxy-4,5-dimethoxybenzamido)thiazole-4-carboxamide HydrochlorideN-{2-[bis(propan-2-yl)amino]ethyl}-2-(2-hydroxy-4,5-dimethoxybenzamido)-1,3-thiazole-4-carboxamide hydrochlorideUNII-510791NN30Acotiamidehydrochloride
이름 더 보기
Acotiamide-d6 HClAcotiamide hydrochlorideAcotiamide Impurity 20 HClAcotiamide Impurity 14 HClAcetylformamide hydrochlorideAcotiamide (hydrochloride) (Acotiamide Impurity)N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyN-[2-[Bisisopropylamino]-ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-4-thiazolecarboxamide HCl
물성
구조 계산 물성
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 586
물리화학적 성질
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- InChIKey
- VQEKQYLTAIVCBW-UHFFFAOYSA-N
- SMILES
- C(C1C(=CC(OC)=C(OC)C=1)O)(=O)NC1SC=C(C(=O)NCCN(C(C)C)C(C)C)N=1.Cl
화학 및 산업
응용 분야
개요Acotiamide Hydrochloride (YM-443, Z-338) is the hydrochloride salt form of acotiamide, a prokinetic agent with gastrointestinal (GI) motility-enhancing activity. It is a new orally active selective acetylcholinesterase inhibitor. Although the exact mechanism by which acotiamide exerts its effect has yet to be fully elucidated, this agent appears to inhibit acetylcholinesterase (AchE), an enzyme responsible for the breakdown of acetylcholine (Ach). Increased Ach concentrations lead to an improvement of gastric emptying and GI motility and eventually to a reduction of dyspepsia symptoms.
공급사100 곳
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